3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide

Systemtic Name: 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide Openeye Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide CAS Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide IUPAC Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide Traditional Name: 3-(5-cyano-6-keto-2,4-dimethyl-1H-pyridin-3-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propionamide Formula: C23H27N5O4S MolecularWeight: 469.55658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3)C)C#N

InChI

InChI=1S/C23H27N5O4S/c1-15-19(16(2)26-23(30)20(15)14-24)10-11-22(29)27-17-7-6-8-18(13-17)33(31,32)28-21-9-4-3-5-12-25-21/h6-8,13H,3-5,9-12H2,1-2H3,(H,25,28)(H,26,30)(H,27,29)